SCHEMBL5202391

SCHEMBL5202391

Cc1cccc(-c2nc(NC(=O)Cc3ccccc3)sc2-c2ccnc(NC(=O)Cc3ccccc3)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.59
ADORA2A P29274 6/20 0.53
ADORA1 P30542 6/20 0.53
RORC P51449 1/20 0.49
ADORA3 P0DMS8 1/20 0.47
ADORA2B P29275 1/20 0.47
KDR P35968 2/20 0.47
MAP4K5 Q9Y4K4 2/20 0.47
MAPK13 O15264 2/20 0.47
MAPK12 P53778 2/20 0.47
MAPK11 Q15759 2/20 0.47
IKBKB O14920 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
EGFR P00533 1/20 0.47
MAPK1 P28482 1/20 0.47
FLT4 P35916 1/20 0.47
FRK P42685 1/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5202308 0.76 MAPK14 (0.53) MAPK14ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5200414 0.76 MAPT (0.53) MAPK14ADORA2AADORA1ADORA3ADORA2B
SCHEMBL30899954 0.76 MAPT (0.53) MAPK14ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5202841 0.76 MAPK14 (0.83) MAPK14KDRMAP4K5MAPK13MAPK12
SCHEMBL6276729 0.75 ADORA1 (0.62) MAPK14ADORA2AADORA1RORCADORA3
SCHEMBL2753572 0.75 RORC (0.74) ADORA2AADORA1RORCADORA3ADORA2B
SCHEMBL27690950 0.75 ADORA2A (0.59) ADORA2AADORA1RORCADORA3ADORA2B
SCHEMBL1518934 0.74 MAPK14 (1.00) MAPK14KDRMAP4K5MAPK13MAPK12
SCHEMBL31079590 0.74 MAPK14 (1.00) MAPK14KDRMAP4K5MAPK13MAPK12
SCHEMBL27690878 0.74 ADORA2A (0.63) ADORA2AADORA1RORCADORA3ADORA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199124-B2 JNK inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-04-03 US disclosed
US-20050080113-A1 Medicinal compositions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-04-14 US disclosed
US-20040063946-A1 Jnk inhibitor TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1402900-A1 MEDICINAL COMPOSITIONS Takeda Chemical Industries, Ltd. (JP) 2004-03-31 EP disclosed
EP-1364949-A1 JNK INHIBITOR Takeda Chemical Industries, Ltd. (JP) 2003-11-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050080113-A1 Medicinal compositions TNF, TRAF6, MMP8 MAPK14 50/4885ADORA2A 1487/4885ADORA1 1594/4885
US-20040063946-A1 Jnk inhibitor MAPK1, MAPK7, MAP3K7 MAPK14 14/4885ADORA2A 4636/4885ADORA1 4358/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.